Geometry & MOs

Info

ID:	399146
PubChem CID:	135038221
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	287.001907
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	8.61
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=O)O1)C#N)N2CCOCC2

DOS

IR

Vibrations